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article
16
Computer Simulation
9
oxygen
9
unclassified drug
9
Models, Molecular
8
chemistry
8
molecular dynamics
8
Nitric Oxide
7
Oxygen
7
Thermodynamics
7
ligand binding
7
quantum mechanics
7
Molecular dynamics
6
Protein Structure, Tertiary
6
oxidation
6
priority journal
6
Crystallography, X-Ray
5
Ligands
5
Mycobacterium tuberculosis
5
Oxidation-Reduction
5
Protein Conformation
5
Proteins
5
Quantum Theory
5
controlled study
5
nitric oxide
5
nonhuman
5
oxidation reduction reaction
5
protein conformation
5
structure analysis
5
Animals
4
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1“... at normal and high pressure. The results show that the main effect of high pressure is to reduce the protein...”
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2“... histidine bond in the so-called 6c-NO to 5c-NO transition. The main breakthrough in the understanding of sGC...”
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3“... variety of products originating mainly by direct attack of nucleophiles on the intermediate carbocation...”
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4“.... Experimental evidence shows that the increase in the NO dissociation equilibrium constant, K d, is due mainly...”
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5“... of the main targets of peroxynitrite, due to its large physiological concentrations. The reaction yields...”
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6“... that the BC of Fe(II) porphyrins is mainly decreased for the diatomic ligands, when both donor or withdrawing...”
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7“... sulfohydroxamic acid) seems to be the main pathway for MnIIITEPyP. In the presence of oxygen, the product Mn...”
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8por Zeida, A., Guardia, C.M., Lichtig, P., Perissinotti, L.L., Defelipe, L.A., Turjanski, A., Radi, R., Trujillo, M., Estrin, D.A.“...Thiol redox chemical reactions play a key role in a variety of physiological processes, mainly due...”
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9“...Neurosteroids (NS) are the main modulators of γ-aminobutyric acid type A receptors (GABAARs), which...”
INPR -
10por Capece, L., Boechi, L., Perissinotti, L.L., Arroyo-Mañez, P., Bikiel, D.E., Smulevich, G., Marti, M.A., Estrin, D.A.“... modulate protein-ligand binding. The review presents mainly results derived from our previous works...”
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11“..., generating melatonin as the main organic product (k = (3.7 ± 1.1) × 10-5 s-1, Tris-HCl (0.2 M) buffer, pH 7.4...”
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12“... are mainly due to an active-site arrangement, which establishes a complex hydrogen bond network activating...”
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13“...Proteins are main targets of oxidants in biological systems. This oxidation may occur...”
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14“... distant sites together. We extensively analyze the trimers and tetramers conformations and found two main...”
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15“... by an acid-base equilibria. Afterwards, the product is formed from two main pathways involving cis...”
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16por Oliveira, A., Singh, S., Bidon-Chanal, A., Forti, F., Martí, M.A., Boechi, L., Estrin, D.A., Dikshit, K.L., Luque, F.J.“... cavity. While oxygen migrates mainly by the short path, a ligand-induced conformational change regulates...”
Publicado 2012
Artículo publishedVersion -
17por Oliveira, A., Singh, S., Bidon-Chanal, A., Forti, F., Martí, M.A., Boechi, L., Estrin, D.A., Dikshit, K.L., Luque, F.J.“... cavity. While oxygen migrates mainly by the short path, a ligand-induced conformational change regulates...”
Publicado 2012
Artículo publishedVersion -
18por Oliveira, A., Singh, S., Bidon-Chanal, A., Forti, F., Martí, M.A., Boechi, L., Estrin, D.A., Dikshit, K.L., Luque, F.J.“... cavity. While oxygen migrates mainly by the short path, a ligand-induced conformational change regulates...”
JOUR -
19por Crespo, A., Martí, M.A., Kalko, S.G., Morreale, A., Orozco, M., Gelpi, J.L., Luque, F.J., Estrin, D.A.“... to identify Phe62 as the gate of the main channel for ligand diffusion to the active site. Moreover...”
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20“...-molecule inhibitors of IDO are currently utilized in cancer therapy. One of the main concerns...”
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